============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 5 0.840 52.687 9.367 17.264 -99.200 -91.000 PHE 10 1.000 49.743 -2.140 8.199 -99.200 -91.000 PHE 24 1.000 46.261 -1.821 16.456 -99.200 -91.000 PHE 29 1.000 43.118 8.738 18.416 -99.200 -91.000 TYR 37 0.840 33.204 15.966 20.196 -99.200 -91.000 TRP 43 1.040 34.588 5.848 19.040 -99.200 -91.000 TRP6 43 1.020 36.503 6.796 18.022 -99.200 -91.000 PHE 54 1.000 42.886 2.444 2.284 -99.200 -91.000 TRP 72 1.040 45.209 24.597 6.023 -99.200 -91.000 TRP6 72 1.020 46.597 22.717 6.307 -99.200 -91.000 TYR 88 0.840 47.478 6.683 -4.834 -99.200 -91.000 PHE 97 1.000 38.103 -1.492 4.997 -99.200 -91.000 TYR 101 0.840 39.383 -5.908 8.490 -99.200 -91.000 PHE 105 1.000 42.560 -0.094 7.076 -99.200 -91.000 HIS 106 0.900 50.763 0.973 6.362 -99.200 -91.000 PHE 107 1.000 45.840 6.180 6.419 -99.200 -91.000 PHE 109 1.000 49.309 11.314 8.721 -99.200 -91.000 TRP 110 1.040 57.709 17.061 6.497 -99.200 -91.000 TRP6 110 1.020 59.358 15.798 5.382 -99.200 -91.000 TYR 112 0.840 58.525 16.545 15.786 -99.200 -91.000 TRP 115 1.040 58.339 11.331 3.904 -99.200 -91.000 TRP6 115 1.020 56.145 11.988 3.339 -99.200 -91.000 PHE 133 1.000 34.214 13.641 13.992 -99.200 -91.000 HIS 135 0.900 30.677 12.464 4.666 -99.200 -91.000 PHE 142 1.000 33.834 2.763 5.015 -99.200 -91.000 TRP 143 1.040 40.403 7.266 -0.232 -99.200 -91.000 TRP6 143 1.020 41.612 9.276 -0.017 -99.200 -91.000 TYR 151 0.840 46.799 14.084 7.951 -99.200 -91.000 TYR 157 0.840 38.307 11.810 14.438 -99.200 -91.000 PHE 169 1.000 48.927 17.981 4.678 -99.200 -91.000 PHE 172 1.000 52.970 16.841 2.516 -99.200 -91.000 PHE 179 1.000 50.532 31.485 4.182 -99.200 -91.000 TYR 180 0.840 51.610 34.191 -3.811 -99.200 -91.000 TYR 190 0.840 45.651 31.652 -15.763 -99.200 -91.000 TYR 209 0.840 36.859 42.365 8.255 -99.200 -91.000 HIS 226 0.900 34.672 25.906 4.371 -99.200 -91.000 TYR 228 0.840 35.512 27.823 -0.520 -99.200 -91.000 PHE 238 1.000 32.358 36.742 -20.877 -99.200 -91.000 HIS 241 0.900 37.630 40.254 -22.299 -99.200 -91.000 TRP 252 1.040 31.352 22.701 4.439 -99.200 -91.000 TRP6 252 1.020 29.704 24.405 4.501 -99.200 -91.000 TRP 256 1.040 31.101 32.133 -8.047 -99.200 -91.000 TRP6 256 1.020 31.035 34.221 -6.954 -99.200 -91.000 TRP 260 1.040 33.142 33.419 -15.958 -99.200 -91.000 TRP6 260 1.020 33.089 32.631 -18.189 -99.200 -91.000 TRP 267 1.040 29.903 28.216 -17.479 -99.200 -91.000 TRP6 267 1.020 32.214 27.803 -17.582 -99.200 -91.000 HIS 269 0.900 26.350 34.914 -23.783 -99.200 -91.000 PHE 287 1.000 33.146 27.483 -6.276 -99.200 -91.000 TRP 288 1.040 35.594 25.922 -14.036 -99.200 -91.000 TRP6 288 1.020 37.936 26.000 -14.315 -99.200 -91.000 PHE 294 1.000 41.195 33.263 -5.970 -99.200 -91.000 PHE 298 1.000 37.501 32.490 -1.869 -99.200 -91.000